4-benzyl-3-methylisoxazol-5(4H)-one

Base Information

Chemical Name:4-benzyl-3-methylisoxazol-5(4H)-one
CAS No.:72745-66-5
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:
DSSTox Substance ID:DTXSID50500045
Nikkaji Number:J359.670B

Synonyms:72745-66-5;4-benzyl-3-methylisoxazol-5(4H)-one;DTXSID50500045;4-Benzyl-3-methyl-1,2-oxazol-5(4H)-one

Suppliers and Price of 4-benzyl-3-methylisoxazol-5(4H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 4-benzyl-3-methylisoxazol-5(4H)-one

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:254

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=O)C1CC2=CC=CC=C2

Technology Process of 4-benzyl-3-methylisoxazol-5(4H)-one

There total 4 articles about 4-benzyl-3-methylisoxazol-5(4H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 620-79-1
Ethyl 2-benzylacetoacetate

: 72745-66-5
3-methyl-4-benzyl-2-isoxazolin-5-one

Guidance literature:: Multistep reaction; (i) morpholine, (ii) NH₂OH*HCl, aq. EtOH;
DOI:10.1021/jo01319a053

Reference yield:

: 100-39-0
benzyl bromide

: 72745-66-5
3-methyl-4-benzyl-2-isoxazolin-5-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium tert-butylate; tert-butyl alcohol / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere

1.2: 12 h / 70 °C / Inert atmosphere

2.1: morpholine / 22 - 140 °C / Inert atmosphere

2.2: Inert atmosphere

With morpholine; potassium tert-butylate; tert-butyl alcohol; In tetrahydrofuran;
DOI:10.1002/anie.201410933